MMsINC Database Search


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MMsINC code: MMs02196580

Type: Neutral
Formula: C₁₇H₁₇FO

SMILES:

Fc1cc(ccc1)C1(CCCC1)c1ccc(O)cc1

InChI:

InChI=1/C17H17FO/c18-15-5-3-4-14(12-15)17(10-1-2-11-17)13-6-8-16(19)9-7-13/h3-9,12,19H,1-2,10-11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.5105 kcal/mol

Physical Properties
Molecular Weight: 256.32 g/mol	logS: -5.39313	SlogP: 4.3914	Reactive groups: 0

Topological Properties
Globularity: 0.209149	Sterimol/B1: 2.33594	Sterimol/B2: 3.02789	Sterimol/B3: 4.69609
Sterimol/B4: 7.1594	Sterimol/L: 12.247

Surface and Volume Properties
Accessible surface: 465.424	Positive charged surface: 276.561	Negative charged surface: 188.863	Volume: 253.125
Hydrophobic surface: 412.87	Hydrophilic surface: 52.554

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.